N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide

C16H12ClNO2 — CID 60816686

IUPACN-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(C#CCO)c1
InChIInChI=1S/C16H12ClNO2/c17-14-7-2-8-15(11-14)18-16(20)13-6-1-4-12(10-13)5-3-9-19/h1-2,4,6-8,10-11,19H,9H2,(H,18,20)
InChIKeyARZURJUUDHDYTA-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.94
Rot. Bonds2

About N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide

N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60816686) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60816686
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC NameN-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(C#CCO)c1
InChIInChI=1S/C16H12ClNO2/c17-14-7-2-8-15(11-14)18-16(20)13-6-1-4-12(10-13)5-3-9-19/h1-2,4,6-8,10-11,19H,9H2,(H,18,20)
InChIKeyARZURJUUDHDYTA-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
3-chloro-N-[3-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60804759
3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
CID 60815302
N-(2,4-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60817647
N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60815889
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311034
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695922
3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803799
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804718
3-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]benzamide
CID 60804162
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60804145

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide (CID 60816686) is N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide is O=C(Nc1cccc(Cl)c1)c1cccc(C#CCO)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is ARZURJUUDHDYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-14-7-2-8-15(11-14)18-16(20)13-6-1-4-12(10-13)5-3-9-19/h1-2,4,6-8,10-11,19H,9H2,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 285.73 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60816686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).